@article {2066, title = {Computational Evaluation of the Potential of Salicylate Compound from Syzygium aromaticum on Carbonic Anhydrase I as a Gastric Acid Stimulant}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {489-493}, type = {Original Article }, chapter = {489}, abstract = {

This article explores the potential of the salicylate compound (Syzygium Aromaticum) as a stimulant for Carbonic Anhydrase I in gastric acid secretion, using a computational approach. The research methods include molecular modeling with Pymol and Pyrex, determination of compound structure and interactions with Protein Plus, and examination of physicochemical properties using the Lipinski Rule. The results show that the Binding Affinity of salicylate with Carbonic Anhydrase I ranges from -7.3 to -6.5, with RMSD values of 0, 2.102, and 2.212, indicating good modeling quality. The interaction between salicylate and Carbonic Anhydrase I is also supported by the findings from Protein Plus. Furthermore, the salicylate compound complies with the Lipinski Rule, with a molecular weight of 137, 1 hydrogen bond donor, 3 hydrogen bond acceptors, a log P value of 0.34, and a molar reactivity of 34.16. This study highlights the prospect of salicylate as a potential modulator of Carbonic Anhydrase I.

}, keywords = {Carbonic Anhydrase I, Gastric Acid Stimulant, Molecular docking, Salicylate, Syzygium Aromaticum.}, doi = {10.5530/pj.2023.15.107}, author = {Rahadian Zainul and Rismi Verawati and Rauza Sukma Rita and Fadhli Ranuharja and Musa Ghufron and Agariadne Dwinggo Samala and Herland Satriawan and Muhammad Raffi Ghifari and Devi Purnamasari and Riso Sari Mandeli and Amalia Putri Lubis and Viol Dhea Kharisma and Vikash Jakhmola and Maksim Rebezov and ANM Ansori} } @article {2105, title = {Hepatitis E Inhibited by Rosmarinic Acid Extract from Clove Plant (Syzygium Aromaricum) through Computational Analysis}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {518-523}, type = {Original Article }, chapter = {518}, abstract = {

This study aims to evaluate the potential of Rosmarinic Acid as an inhibitor against Hepatitis E by interacting with the active site of the Tyrosine FYN protein. Computational approaches were employed to predict the molecular interactions between Rosmarinic Acid and Tyrosine FYN. The research methodology involved the use of software such as Pymol, Pyrex, Protein Plus, and the Lepinski Rule. Docking analysis was conducted using Pymol to obtain information about the binding energy between Rosmarinic Acid and Tyrosine FYN. The results of the analysis showed that Rosmarinic Acid exhibited a Binding Affinity of -8.3, -8, and -7.9, indicating a strong affinity towards the target protein. Additionally, Root Mean Square Deviation (RMSD) values of 0, 15.905, and 17.014 were used to assess the stability of the formed protein-ligand complex. Analysis using Protein Plus revealed interactions between Rosmarinic Acid and Tyrosine FYN. Furthermore, analysis using the Lepinski Rule to examine the physicochemical properties of Rosmarinic Acid indicated that the molecule had a mass of 360, 5 hydrogen bond donors, 8 hydrogen bond acceptors, a log P value of 1.76, and a molar reactivity of 89.8. These findings highlight the potential of Rosmarinic Acid as an inhibitor of Hepatitis E through its interaction with the Tyrosine FYN protein, providing a basis for the development of potential new therapies in the treatment of this disease.

}, keywords = {Hepatitis E, Molecular Docking., Rosmarinic acid, Syzygium aromaricum, Tyrosine FYN}, doi = {10.5530/pj.2023.15.112}, author = {Sunadi and Saddam Al Aziz and Fadhilah Fitri and Devni Prima Sari and Muhammad Raffi Ghifari and Rismi Verawati and Nita Yessirita and Oski Illiandri and Riso Sari Mandeli and Devi Purnamasari and Putri Azhari and Rahadian Zainul and Viol Dhea Kharisma and Vikash Jakhmola and Maksim Rebezov and ANM Ansori} } @article {2069, title = {Study on the Inhibition of Sinensetin Extract from Cat{\textquoteright}s Whiskers Plant (Orthosiphon aristatus) on ATP Binding Cassette Sub-Family G Member 2 in Uric Acid}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {506-511}, type = {Original Article }, chapter = {506}, abstract = {

This study aims to investigate the potential of sinensetin, a compound found in the Cat{\textquoteright}s Whiskers plant (Orthosiphon aristatus), as an inhibitor in inhibiting uric acid through its interaction with ATP Binding Cassette Sub-Family G Member 2 (ABCG2). The in-silico approach was employed using software tools such as Pymol, PyRx, Protein Plus, and Lepinski Rule. The results of molecular docking analysis using PyRx demonstrated significant interactions between sinensetin and ABCG2, with Binding Affinity values of -6.8, -6.6, and -6.6, and RMSD values of 0, 0.785, and 1.379. The analysis using Protein Plus confirmed the interaction between sinensetin and ABCG2, supporting the previous docking findings. Furthermore, the evaluation of pharmacokinetic parameters using the Lepinski Rule of Five revealed that sinensetin meets the criteria as a potential drug compound, with a molecular weight of 372, no hydrogen bond donors, seven hydrogen bond acceptors, a log P value of 3.345, and a molar reactivity of 98.5. This research provides new insights into the development of uric acid therapy through an in-silico approach, and these findings can serve as a basis for further research involving in vitro and in vivo validation.

}, keywords = {ATP Binding Cassette, Molecular docking, Orthosiphon aristatus, Sinensetin, Uric Acid.}, doi = {10.5530/pj.2023.15.110}, author = {Anni Faridah and Rismi Verawati and Budhi Oktavia and Musa Ghufron and Devi Purnamasari and Muhammad Raffi Ghifari and Linda Rosalina and Putri Azhari and Rahadian Zainul and Viol Dhea Kharisma and Vikash Jakhmola and Maksim Rebezov and ANM Ansori} } @article {1841, title = {Bioactive Compounds from Purslane (Portulaca oleracea L.) and Star Anise (Illicium verum Hook) as SARS-CoV-2 Antiviral Agent via Dual Inhibitor Mechanism: In Silico Approach}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {August 2022}, pages = {352-357}, type = {Original Article }, chapter = {352}, abstract = {

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes the COVID-19 pandemic that infects humans and attacks the body{\textquoteright}s immune system. The purpose of the study was to identify the potential of bioactive compounds in purslane (Portulaca oleracea L.) and star anise (Illicium verum Hook) via a dual inhibitor mechanism against SARS-CoV-2 proteases with an in silico approach. The samples were obtained from PubChem and RSCB PDB. Antivirus probability prediction was performed on PASS Online. Virtual screening was performed with PyRx via molecular docking. Visualization was used by PyMol and Discovery Studio. Compounds with the best antiviral potential are indicated by the low binding affinity value to the target proteins, namely SARS-CoV-2 TMPRSS2 and PLpro. The results showed that purslane luteolin has the best antiviral potential. However, further studies are required to validate this computational prediction.

}, keywords = {Antiviral agent, Illicium verum Hook, in silico, Portulaca oleracea L., SARS-CoV-2}, doi = {10.5530/pj.2022.14.106}, author = {Nur Sofiatul Aini and Viol Dhea Kharisma and Muhammad Hermawan Widyananda and Ahmad Affan Ali Murtadlo and Rasyadan Taufiq Probojati and Dora Dayu Rahma Turista and Muhammad Badrut Tamam and Vikash Jakhmola and Dony Novaliendry and Riso Sari Mandeli and Budhi Oktavia and Muhammad Thoriq Albari and Saddam Al Aziz and Muhammad Raffi Ghifari and Okta Suryani and Putri Azhari and Muhammad Arya Ghifari and Devi Purnamasari and Agariadne Dwinggo Samala and Mirella Fonda Maahury and ANM Ansori and Rahadian Zainul} } @article {1913, title = {Correlation of the Presence of Non Structural-1 (NS1) Antigen Dengue Virus with Severity of Dengue Infection}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {December 2022}, pages = {813-816}, type = {Research Article }, chapter = {813}, abstract = {

Dengue is a major public health threat worldwide, affecting approximately 3 billion people. More than 100 countries in the world located in tropical and subtropical areas, there are at least 100 to 400 million people infected with the dengue virus which causes dengue hemorrhagic fever (DHF). Soluble Non Structural Protein (sNS1) DENV is a soluble NS1 protein that is secreted and found in the serum of patients during acute infection. Because of its presence early in infection, sNS1 is used as a diagnostic indicator of acute dengue infection. NS1 can directly activate platelets through TLR4 and can further increase platelet aggregation, endothelial cell adhesion, and phagocytosis by macrophages that can cause thrombocytopenia so that high sNS1 levels are associated with disease severity. From the results of the study showed p \<0.05. This indicates that there is a correlation between the presence of NS1 and the severity of dengue infection.

}, keywords = {Dengue virus, NS1 antigen, Thrombocytopenia}, doi = {10.5530/pj.2022.14.172}, author = {Ichwan Baihaki and Beti Ernawati Dewi and Viol Dhea Kharisma and Ahmad Affan Ali Murtadlo and Muhammad Badrut Tamam and Devi Purnamasari and Nunuk Hariani Soekamto and ANM Ansori and Kuswati and Riso Sari Mandeli and Kawther Ameen Muhammed Saeed Aledresi and Nur Farhana Mohd Yusof and Vikash Jakhmola and Maksim Rebezov and Pavel Burkov and Marina Derkho and Pavel Scherbakov and Rahadian Zainul and Muhammad Raffi Ghifari and Asmi Citra Malina AR Tasakka and Tengku Siti Hajar Haryuna} } @article {1873, title = {In Silico Screening of Bioactive Compounds from Garcinia mangostana L. Against SARS-CoV-2 via Tetra Inhibitors}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {October 2022}, pages = {575-579}, type = {Research Article}, chapter = {575}, abstract = {

The global COVID-19 pandemic caused by SARS-CoV-2 has been the resulted of massive human deaths since early 2020. The purpose of this study was to determine the potential of mangosteen (Garcinia mangostana L.) as an inhibitor of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in silico approach. The samples were obtained from PubChem and RCSB PDB. Analysis of the similarity of the drug was carried out with the Swiss ADME on the basis of Lipinski rule of five. Prediction of antivirus probabilities was carried out using PASS Online. Molecular screening was performed using PyRx through molecular docking. Discovery Studio was used for visualization. The bioactive compounds with the highest antiviral potential were indicated with the lowest binding affinity to the targeted proteins RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. The results indicated that mangiferin has the greatest potential as a potential antiviral. However, more research is required to validate the results of these computational predictions.

}, keywords = {Antiviral agent, Garcinia mangostana L., in silico, SARS-CoV-2}, doi = {10.5530/pj.2022.14.138}, author = {Nur Sofiatul Aini and Viol Dhea Kharisma and Muhammad Hermawan Widyananda and Ahmad Affan Ali Murtadlo and Rasyadan Taufiq Probojati and Dora Dayu Rahma Turista and Muhammad Badrut Tamam and Vikash Jakhmola and Elsa Yuniarti and Saddam Al Aziz and Muhammad Raffi Ghifari and Muhammad Thoriq Albari and Riso Sari Mandeli and Muhammad Arya Ghifari and Devi Purnamasari and Budhi Oktavia and Amalia Putri Lubis and Fajriah Azra and Fadhilah Fitri and ANM Ansori and Maksim Rebezov and Rahadian Zainul} } @article {1832, title = {In Silico Screening of Bioactive Compounds from Syzygium cumini L. and Moringa oleifera L. Against SARS-CoV-2 via Tetra Inhibitors}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {August 2022}, pages = {267-272}, type = {Original Article }, chapter = {267}, abstract = {

The global pandemic of COVID-19 has caused disastrous consequences for both humans and the economy. The purpose of this study was to determine the potential of juwet (Syzygium cumini L.) and moringa (Moringa oleifera L.) as inhibitors of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in-silico approach. Samples were obtained from PubChem and RSCB PDB databases. The drug similarity analysis was determined using Swiss ADME and the Lipinski rule of five. Prediction of antivirus probabilities is carried out with PASS Online. Molecular screening is performed by molecular docking using PyRx. Visualization was used using PyMol and Discovery Studio. The bioactive compounds with the best antiviral potential had the lowest affinity bonds to the target proteins against RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. Results show that ellagic acid from java plum and myricetin from moringa have the best potential as potential antivirals. However, more research is required to validate the results of these computational predictions.

}, keywords = {Antiviral agent, in silico, Moringa Oleifera L, SARS-CoV-2, Syzygium cumini L.}, doi = {10.5530/pj.2022.14.95}, author = {Nur Sofiatul Aini and Viol Dhea Kharisma and Muhammad Hermawan Widyananda and Ahmad Affan Ali Murtadlo and Rasyadan Taufiq Probojati and Dora Dayu Rahma Turista and Muhammad Badrut Tamam and Vikash Jakhmola and Devni Prima Sari and Muhammad Thoriq Albari and Devi Pernamasari and Muhammad Arya Ghifari and Muhammad Raffi Ghifari and Riso Sari Mandeli and Muhardi and Budhi Oktavia and Trisna Kumala Sari and Titi Sriwahyuni and Putri Azhari and Mirella Fonda Maahury and ANM Ansori and Rahadian Zainul} } @article {1872, title = {In Silico Study of Entry Inhibitor from Moringa oleifera Bioactive Compounds against SARS-CoV-2 Infection}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {October 2022}, pages = {565-574}, type = {Research Article}, chapter = {565}, abstract = {

The aim of this study is to screen the content of bioactive compounds of Moringa oleifera and to identify its potential as an antiviral against COVID 19 through an entry inhibitor mechanism using bioinformatics tools. The sample was obtained from PubChem database. Amino acis sequences were obtained from the NCBI. Protein modeling is made through the SWISSMODEL site. The target proteins for this study were SARS-CoV-2 Mpro and RdRp. The protein-inhibitory interaction of the drug from M. oleifera bioactive compounds to SARS-CoV-2 was predicted by molecular docking with PyRx software. The result shows that M. oleifera was a potential antiviral candidate for SARS-CoV-2 with an entry inhibitor mechanism through a compound, especially quercetin. The RFMS value of both interactions between Mpro and quercetion and RdRp with quercetin were not higher than 1.05. This result still needed further research to prove this prediction.

}, keywords = {Active site, COVID-19, Moringa oleifera, Mpro, RdRp}, doi = {10.5530/pj.2022.14.137}, author = {Nala Mawaddani and Ekris Sutiyanti and Muhammad Hermawan Widyananda and Viol Dhea Kharisma and Dora Dayu Rahma Turista and Muhammad Badrut Tamam and Vikash Jakhmola and Syamsurizal and Bayu Ramadhani Fajri and Muhammad Raffi Ghifari and Muhammad Thoriq Albari and Muhammad Arya Ghifari and Amalia Putri Lubis and Dony Novaliendry and Dwi Hilda Putri and Fadhilah Fitri and Devni Prima Sari and Alexander Patera Nugraha and ANM Ansori and Maksim Rebezov and Rahadian Zainul} } @article {1874, title = {The phytochemical and pharmacological activity of extract Kirinyuh (Chromolaena odorata L.) leaves: A Review}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {October 2022}, pages = {580-586}, type = {Research Article}, chapter = {580}, abstract = {

C. odorata L. is considered to be a plant weed that is scattered in various climates. As a weed, this plant contains a variety of beneficial secondary metabolites. Several studies have shown the benefits of C. odorata L. leaf extract. This study reviews the metabolite content and the pharmacological activities of C. odorata L. leaf extract. A literature search was carried out to obtain various studies related to the use of this plant extract. Secondary metabolites identified in C. odorata L. are alkaloids, flavonoids, tannins, saponins, and steroids. Several reports have also shown that even though it is considered a weed, C. odorata L. leaf extract also provides many benefits due to its pharmacological activities. Various pharmacological activities include anti-inflammatory, anti-microbial, antioxidant, antidyslipidemia, hematologic agent, antidiabetic and anti-cataract, analgesic and antipyretic, wound healing, anti-malaria, mosquito larvicidal, antihypercholesterolemia, and antifungal.

}, keywords = {Characterization, Chromolaena odorata, Kirinyuh, Pharmacological activity, Phytochemical}, doi = {10.5530/pj.2022.14.139}, author = {Erna Harfiani and Yudhi Nugraha and Citra Ayu Aprilia and Feda Anisah Makkiyah and Ratna Puspita and Viol Dhea Kharisma and Muhammad Hermawan Widyananda and Ahmad Affan Ali Murtadlo and Dora Dayu Rahma Turista and Muhammad Badrut Tamam and Riso Sari Mandeli and Mirella Fonda Maahury and Devi Purnamasari and Muhammad Arya Ghifari and Muhammad Thoriq Albari and Muhammad Raffi Ghifari and Asmi Citra Malina A. R. Tasakka and Alexander Patera Nugraha and Rahadian Zainul} }